N5,N5,N9,N9-tetraethyl-4,6,8,10-tetraoxa-5,9-diphospha-1,3(1,2),7(2,7)-trinaphthalenacyclodecaphane-5,9-diamine | 1252583-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N5,N5,N9,N9-tetraethyl-4,6,8,10-tetraoxa-5,9-diphospha-1,3(1,2),7(2,7)-trinaphthalenacyclodecaphane-5,9-diamine
• CAS: 1252583-04-2
• 化学式: C₃₉H₄₀N₂O₄P₂
• 分子量: 662.705
• InChiKey: RCBRPSHEFNMGFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  47.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  43.4
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N5,N5,N9,N9-tetraethyl-4,6,8,10-tetraoxa-5,9-diphospha-1,3(1,2),7(2,7)-trinaphthalenacyclodecaphane-5,9-diamine 在 sulfur 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以34%的产率得到5,9-bis(diethylamino)-4,6,8,10-tetraoxa-5,9-diphospha-1,3(1,2),7(2,7)-trinaphthalenacyclodecaphane 5,9-disulfide
  参考文献：
  名称：

  Phosphomacrocyclic systems based on 2,2′-dihydroxy-1,1′-dinaphtylmethane

  摘要：

  For the first time phosphomacrocyclic systems were synthesized based on 2,2'-dihydroxy-1,1'-dinaphthylmethane, other aromatic diols, and phosphorous hexaethyltriamide. Spontaneous transformation of the obtained macrocycles into the more stable 1,3,2-dioxaphosphacyn and cyclobisamidophosphite was established.

  DOI：

  10.1134/s1070363210050099
• 作为产物：
  描述：

  1,1-亚甲基-2-萘酚 、 1,1'-(naphthalene-2,7-diylbis(oxy))bis(N,N,N',N'-tetraethylphosphanediamine) 以 1,4-二氧六环 为溶剂， 反应 72.0h， 生成 N5,N5,N9,N9-tetraethyl-4,6,8,10-tetraoxa-5,9-diphospha-1,3(1,2),7(2,7)-trinaphthalenacyclodecaphane-5,9-diamine
  参考文献：
  名称：

  Phosphomacrocyclic systems based on 2,2′-dihydroxy-1,1′-dinaphtylmethane

  摘要：

  For the first time phosphomacrocyclic systems were synthesized based on 2,2'-dihydroxy-1,1'-dinaphthylmethane, other aromatic diols, and phosphorous hexaethyltriamide. Spontaneous transformation of the obtained macrocycles into the more stable 1,3,2-dioxaphosphacyn and cyclobisamidophosphite was established.

  DOI：

  10.1134/s1070363210050099